5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol

C18H20FN3O — CID 58304014

IUPAC5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol
SMILESCc1cccc(CNCCc2cn(C)c3ccc(F)c(O)c23)n1
InChIInChI=1S/C18H20FN3O/c1-12-4-3-5-14(21-12)10-20-9-8-13-11-22(2)16-7-6-15(19)18(23)17(13)16/h3-7,11,20,23H,8-10H2,1-2H3
InChIKeyMYGHORKZQSGCGN-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.06
Rot. Bonds5

About 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol

5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol (PubChem CID 58304014) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol.

Molecular Properties

Compound Name5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol
PubChem CID58304014
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol
SMILESCc1cccc(CNCCc2cn(C)c3ccc(F)c(O)c23)n1
InChIInChI=1S/C18H20FN3O/c1-12-4-3-5-14(21-12)10-20-9-8-13-11-22(2)16-7-6-15(19)18(23)17(13)16/h3-7,11,20,23H,8-10H2,1-2H3
InChIKeyMYGHORKZQSGCGN-UHFFFAOYSA-N
XLogP3.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol?
The IUPAC name of 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol (CID 58304014) is 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol.
What is the SMILES notation for 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol?
The canonical SMILES for 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol is Cc1cccc(CNCCc2cn(C)c3ccc(F)c(O)c23)n1.
What is the InChIKey of 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol?
The InChIKey is MYGHORKZQSGCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-12-4-3-5-14(21-12)10-20-9-8-13-11-22(2)16-7-6-15(19)18(23)17(13)16/h3-7,11,20,23H,8-10H2,1-2H3.
What are the key properties of 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol?
5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol has a molecular weight of 313.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]indol-4-ol is sourced from PubChem (CID 58304014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).